Structure of PDB 2die Chain A Binding Site BS04

Receptor Information

>2die Chain A (length=481) Species: 1409 (Bacillus sp. (in: firmicutes))

TNGTMMQYFEWHLPNDGNHWNRLRDDAANLKSKGITAVWIPPAWKGTSQN
DVGYGAYDLYDLGEFNQKGTVRTKYGTRSQLQGAVTSLKNNGIQVYGDVV
MNHKGGADGTEMVNAVEVNRSNRNQEISGEYTIEAWTKFDFPGRGNTHSN
FKWRWYHFDGTDWDQSRQLQNKIYKFRGTGKAWDWEVDIENGNYDYLMYA
DIDMDHPEVINELRNWGVWYTNTLNLDGFRIDAVKHIKYSYTRDWLTHVR
NTTGKPMFAVAEFWKNDLAAIENYLNKTSWNHSVFDVPLHYNLYNASNSG
GYFDMRNILNGSVVQKHPIHAVTFVDNHDSQPGEALESFVQSWFKPLAYA
LILTREQGYPSVFYGDYYGIPTHGVPSMKSKIDPLLQARQTYAYGTQHDY
FDHHDIIGWTREGDSSHPNSGLATIMSDGPGGNKWMYVGKHKAGQVWRDI
TGNRSGTVTINADGWGNFTVNGGAVSVWVKQ

Ligand information

• Ligand ID: NA
• InChI: InChI=1S/Na/q+1
• InChIKey: FKNQFGJONOIPTF-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Na+]
• Formula: Na
• Name: SODIUM ION
• DrugBank: DB14516
• PDB chain: 2die Chain A Residue 781

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2die Ancestral sequence evolutionary trace and crystal structure analyses of alkaline alpha-amylase from Bacillus sp. KSM-1378 to clarify the alkaline adaptation process of proteins
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): D163 D188 D199 D205 I206 D207
• Binding residue (residue number reindexed from 1): D159 D184 D195 D201 I202 D203
• Annotation score: 3

Enzymatic activity

• Catalytic site (original residue number in PDB): D236 E266 D333
• Catalytic site (residue number reindexed from 1): D232 E262 D329
• Enzyme Commision number: 3.2.1.1: alpha-amylase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• GO:0005509 calcium ion binding
• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:2die, PDBe:2die, PDBj:2die
• PDBsum: 2die
• PubMed: 17154418
• UniProt: O82839